1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine

C14H21FN2O — CID 107259031

IUPAC1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCOc1cc(N(CC(C)C)C2CC2)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-9(2)8-17(10-4-5-10)13-7-14(18-3)12(16)6-11(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyQUMOBQDSIREKFK-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.04
Rot. Bonds5

About 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine

1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine (PubChem CID 107259031) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
PubChem CID107259031
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCOc1cc(N(CC(C)C)C2CC2)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-9(2)8-17(10-4-5-10)13-7-14(18-3)12(16)6-11(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyQUMOBQDSIREKFK-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592082
2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63591908
2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63594476
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
2-N-cyclopropyl-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 83001040
2-(4-amino-2-fluoro-5-methoxy-N-methylanilino)acetic acid
CID 107259139
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 63597494
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine (CID 107259031) is 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine is COc1cc(N(CC(C)C)C2CC2)c(F)cc1N.
What is the InChIKey of 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine?
The InChIKey is QUMOBQDSIREKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)8-17(10-4-5-10)13-7-14(18-3)12(16)6-11(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine?
1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine has a molecular weight of 252.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 107259031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).